2-[3-[(3R)-3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxo-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxo-3-azepanyl]phenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxoazepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-[3-[(3R)-3-ethyl-2-keto-1-methyl-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Formula: C26H28N4O2 MolecularWeight: 428.52612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CC[C@@]1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3/t26-/m1/s1